Spent coffee grounds (SCGs) were extracted with supercritical CO₂ at temperatures of 313 K and 333 K, pressures up to 50.0 MPa and different scCO₂ flow rates. The addition of co-solvents isopropanol, ethanol and ethyl lactate decreased the time to achieve the maximum oil yield, to half of that with pure CO₂. Analysis of the extracted oils by NMR, showed that caffeine content was (0.56–3.96) % and DUFA and MUFA contents changed within (39.8–42.0) % and (12.9–15.8) %, respectively. The analyses of fatty acids performed by GC-FID revealed the composition of the oils being 76 % of the total constituted by palmitic and linoleic esters. The DPPH antioxidant capacity was improved up to 12.5 times with co-solvents. The kinetics of oil extraction from SCGs with pure scCO₂ was modeled successfully by combining for the first time representation of the oil mixture by a single virtual molecule with group contribution methods.

用超临界CO ₂在313 K和333 K的温度，高达50.0 MPa的压力和不同的scCO ₂流速下提取用过的咖啡渣（SCG）。共溶剂异丙醇，乙醇和乳酸乙酯的添加减少了获得最大油产率的时间，仅为纯CO _2的一半。。通过NMR分析提取的油，发现咖啡因含量为（0.56-3.96）％，DUFA和MUFA含量分别在（39.8-42.0）％和（12.9-15.8）％之间变化。通过GC-FID进行的脂肪酸分析表明，这些油的成分占棕榈酸酯和亚油酸酯的76％。用助溶剂将DPPH的抗氧化能力提高了12.5倍。通过使用单个虚拟分子首次将油混合物的代表与基团贡献方法相结合，成功地建模了具有纯scCO _2的SCG中石油提取的动力学。